N1-(4-NITROPHENYL)-2-CHLOROACETAMIDE

This chemical is called 2-Chloro-4'-nitroacetanilide, and its systematic name is 2-chloro-N-(4-nitrophenyl)acetamide. With the molecular formula of C₈H₇ClN₂O₃, its molecular weight is 214.61. The CAS registry number of this chemical is 17329-87-2.

Other characteristics of the 2-Chloro-4'-nitroacetanilide can be summarised as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.045; (4)ACD/LogD (pH 7.4): 2.045; (5)ACD/BCF (pH 5.5): 21.096; (6)ACD/BCF (pH 7.4): 21.095; (7)ACD/KOC (pH 5.5): 308.656; (8)ACD/KOC (pH 7.4): 308.64; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 74.92 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 51.919 cm³; (15)Molar Volume: 145.742 cm³; (16)Polarizability: 20.582×10^-24cm³; (17)Surface Tension: 59.595 dyne/cm; (18)Density: 1.473 g/cm³; (19)Flash Point: 219.551 °C; (20)Enthalpy of Vaporization: 69.637 kJ/mol; (21)Boiling Point: 439.416 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of this chemical: The 2-Chloro-4'-nitroacetanilide could be obtained by the reactants of 4-nitro-aniline and chloroacetyl chloride, the solvent of diethyl ether. This reaction should be taken for 3 hours at the temperature of 20 °C. The yield is 95 %.
 


Uses of this chemical: The 2-Chloro-4'-nitroacetanilide could react with piperidine, and obtain the N-(4-nitro-phenyl)-2-piperidin-1-yl-acetamide. This reaction needs the solvent of acetone, and the yield is 97 %. In addtion, this reaction should be taken for 2 hours. The other condition is heating.



You can still convert the following datas into molecular structure: 
(1)SMILES: c1cc(ccc1NC(=O)CCl)[N+](=O)[O-]
(2)InChI: InChI=1/C8H7ClN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12)
(3)InChIKey: AZURFBCEYQYATI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12) |
(5)Std. InChIKey: AZURFBCEYQYATI-UHFFFAOYSA-N